CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=CC=CC=C4Cl)C5=C(C=CC(=C5)N)Cl
الاسم: N-[2-[4-[[1-(5-amino-2-chlorophenyl)-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-chlorobenzamide
SMILES: CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=CC=CC=C4Cl)C5=C(C=CC(=C5)N)Cl

Molecular Processing

Molecular formula
C32H29Cl2N5O4S
Molecular weight
650.59
Exact mass
649.1317
XLogP
6.1
TPSA
129.08
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
44
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.156
Molar refractivity
172.94

Supplementary Information

InChIKey: GLTYNPXQHRLWBC-UHFFFAOYSA-N
مرادفات
CHEMBL342843SCHEMBL9143537GLTYNPXQHRLWBC-UHFFFAOYSA-NBDBM500354572-(5-amino-2-chlorophenyl)-5-n-butyl-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one4''-[1-(5-Amino-2-chloro-phenyl)-3-butyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid 2-chloro-benzoylamide
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